Information card for entry 2240327
Common name |
4,4'-Diamino-3,3',5,5'-tetrabromobibenzyl |
Chemical name |
4,4'-(Ethane-1,2-diyl)bis(2,6-dibromoaniline) |
Formula |
C14 H12 Br4 N2 |
Calculated formula |
C14 H12 Br4 N2 |
SMILES |
c1(cc(c(c(c1)Br)N)Br)CCc1cc(c(c(c1)Br)N)Br |
Title of publication |
Crystal structure of 4,4'-(ethane-1,2-diyl)bis(2,6-dibromoaniline) |
Authors of publication |
Hauptvogel, Ines; Seichter, Wilhelm; Weber, Edwin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
1 |
Pages of publication |
97 - 99 |
a |
8.1219 ± 0.0004 Å |
b |
4.4962 ± 0.0002 Å |
c |
21.5327 ± 0.0009 Å |
α |
90° |
β |
96.706 ± 0.003° |
γ |
90° |
Cell volume |
780.94 ± 0.06 Å3 |
Cell temperature |
153 ± 2 K |
Ambient diffraction temperature |
153 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0274 |
Residual factor for significantly intense reflections |
0.0228 |
Weighted residual factors for significantly intense reflections |
0.0554 |
Weighted residual factors for all reflections included in the refinement |
0.0573 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2240327.html